COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.247  -0.372   0.892  1.00  0.00           C  
HETATM    2  C   UNL     1       5.341   1.015   0.771  1.00  0.00           C  
HETATM    3  C   UNL     1       4.204   1.791   0.871  1.00  0.00           C  
HETATM    4  C   UNL     1       2.974   1.197   1.090  1.00  0.00           C  
HETATM    5  C   UNL     1       2.875  -0.178   1.212  1.00  0.00           C  
HETATM    6  C   UNL     1       4.004  -0.965   1.114  1.00  0.00           C  
HETATM    7  S   UNL     1       1.528   2.195   1.216  1.00  0.00           S  
HETATM    8  O   UNL     1       0.641   1.508   2.088  1.00  0.00           O  
HETATM    9  O   UNL     1       1.976   3.523   1.452  1.00  0.00           O  
HETATM   10  N   UNL     1       0.806   2.203  -0.274  1.00  0.00           N  
HETATM   11  C   UNL     1       1.066   3.302  -1.208  1.00  0.00           C  
HETATM   12  C   UNL     1       1.818   2.766  -2.428  1.00  0.00           C  
HETATM   13  C   UNL     1       2.016   3.895  -3.441  1.00  0.00           C  
HETATM   14  C   UNL     1       3.183   2.229  -1.991  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.092   1.112  -0.659  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.538   1.512  -0.361  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.908   2.616  -1.190  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.465   0.328  -0.645  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.832   0.672  -0.247  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.704  -0.303   0.078  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.356  -1.467   0.041  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.961   0.012   0.443  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.846  -1.089   0.780  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.778  -1.389   2.288  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.071  -1.103   2.841  1.00  0.00           O  
HETATM   26  C   UNL     1      -9.044  -1.245   1.788  1.00  0.00           C  
HETATM   27  O   UNL     1     -10.127  -0.338   2.037  1.00  0.00           O  
HETATM   28  C   UNL     1      -9.854   0.939   1.451  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.486   0.845   0.744  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.315  -0.695   0.523  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.434   0.005  -2.140  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.597  -1.130  -2.688  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.343  -2.267  -2.934  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.741  -3.511  -2.894  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.393  -3.617  -2.607  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.647  -2.480  -2.362  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.249  -1.236  -2.402  1.00  0.00           C  
HETATM   38  C   UNL     1       6.460  -1.211   0.780  1.00  0.00           C  
HETATM   39  O   UNL     1       6.494  -2.552   0.874  1.00  0.00           O  
HETATM   40  C   UNL     1       7.766  -2.951   0.721  1.00  0.00           C  
HETATM   41  C   UNL     1       8.518  -1.830   0.532  1.00  0.00           C  
HETATM   42  N   UNL     1       7.673  -0.767   0.569  1.00  0.00           N  
HETATM   43  C   UNL     1       9.975  -1.781   0.317  1.00  0.00           C  
HETATM   44  O   UNL     1      10.622  -2.810   0.306  1.00  0.00           O  
HETATM   45  O   UNL     1      10.589  -0.596   0.132  1.00  0.00           O  
HETATM   46  C   UNL     1      12.026  -0.624  -0.074  1.00  0.00           C  
HETATM   47  H   UNL     1       6.300   1.480   0.600  1.00  0.00           H  
HETATM   48  H   UNL     1       4.275   2.865   0.777  1.00  0.00           H  
HETATM   49  H   UNL     1       1.912  -0.635   1.383  1.00  0.00           H  
HETATM   50  H   UNL     1       3.925  -2.038   1.208  1.00  0.00           H  
HETATM   51  H   UNL     1       0.120   3.738  -1.528  1.00  0.00           H  
HETATM   52  H   UNL     1       1.670   4.063  -0.714  1.00  0.00           H  
HETATM   53  H   UNL     1       1.242   1.963  -2.887  1.00  0.00           H  
HETATM   54  H   UNL     1       2.592   4.699  -2.983  1.00  0.00           H  
HETATM   55  H   UNL     1       2.552   3.514  -4.311  1.00  0.00           H  
HETATM   56  H   UNL     1       1.044   4.278  -3.753  1.00  0.00           H  
HETATM   57  H   UNL     1       3.043   1.339  -1.378  1.00  0.00           H  
HETATM   58  H   UNL     1       3.772   1.975  -2.872  1.00  0.00           H  
HETATM   59  H   UNL     1       3.704   2.991  -1.412  1.00  0.00           H  
HETATM   60  H   UNL     1       0.017   0.910  -1.724  1.00  0.00           H  
HETATM   61  H   UNL     1       0.161   0.216  -0.091  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.627   1.800   0.687  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.852   2.431  -2.138  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.129  -0.540  -0.078  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.110   1.600  -0.218  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.583  -1.976   0.204  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.532  -2.439   2.446  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.025  -0.757   2.758  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.381  -2.274   1.666  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.629   1.186   0.725  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.818   1.702   2.228  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.506   1.372  -0.210  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.693   1.232   1.384  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.720  -1.053  -0.423  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.853   0.840  -2.701  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.404  -0.164  -2.454  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.067  -0.158  -2.724  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.397  -2.184  -3.158  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.324  -4.399  -3.085  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.923  -4.589  -2.575  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.593  -2.562  -2.138  1.00  0.00           H  
HETATM   82  H   UNL     1       8.126  -3.969   0.744  1.00  0.00           H  
HETATM   83  H   UNL     1      12.509  -1.072   0.795  1.00  0.00           H  
HETATM   84  H   UNL     1      12.255  -1.214  -0.961  1.00  0.00           H  
HETATM   85  H   UNL     1      12.394   0.394  -0.209  1.00  0.00           H  
CONECT    1    2   38    6    6                                       
CONECT    2    3    3    1   47                                       
CONECT    3    2    2    4   48                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   49                                       
CONECT    6    1    1    5   50                                       
CONECT    7    8    8    4    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   15   11                                            
CONECT   11   10   12   51   52                                       
CONECT   12   11   13   14   53                                       
CONECT   13   12   54   55   56                                       
CONECT   14   12   57   58   59                                       
CONECT   15   10   16   60   61                                       
CONECT   16   18   15   17   62                                       
CONECT   17   16   63                                                 
CONECT   18   31   19   16   64                                       
CONECT   19   18   20   65                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   30   22   24   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   26   24                                                 
CONECT   26   30   27   25   69                                       
CONECT   27   28   26                                                 
CONECT   28   29   27   70   71                                       
CONECT   29   28   30   72   73                                       
CONECT   30   29   26   23   74                                       
CONECT   31   37   18   75   76                                       
CONECT   32   33   33   37   77                                       
CONECT   33   34   32   32   78                                       
CONECT   34   35   35   33   79                                       
CONECT   35   34   34   36   80                                       
CONECT   36   35   37   37   81                                       
CONECT   37   36   36   32   31                                       
CONECT   38   42   42   39    1                                       
CONECT   39   40   38                                                 
CONECT   40   41   41   39   82                                       
CONECT   41   42   43   40   40                                       
CONECT   42   41   38   38                                            
CONECT   43   41   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   43   46                                                 
CONECT   46   45   83   84   85                                       
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   40                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
